SCHEMBL16020154

SCHEMBL16020154

Cn1cc(-c2cc(F)c(NC(=O)c3c(F)cncc3F)cc2F)c(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.44
CREBBP Q92793 3/20 0.44
LMNA P02545 3/20 0.43
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
NPSR1 Q6W5P4 5/20 0.39
GAA P10253 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
C5AR1 P21730 1/20 0.38
WDR5 P61964 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PIM1 P11309 1/20 0.37
MAPK1 P28482 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16020155 0.94 BRD4 (0.41) BRD4CREBBPLMNASTIM1ORAI1
SCHEMBL16017241 0.89 LMNA (0.46) BRD4CREBBPLMNASTIM1ORAI1
SCHEMBL16020156 0.85 ATR (0.47) LMNASTIM1ORAI1CYP1A2CYP3A4
SCHEMBL16019824 0.84 LMNA (0.43) BRD4CREBBPLMNASTIM1ORAI1
SCHEMBL16019885 0.84 POLB (0.47) BRD4LMNASTIM1ORAI1CYP1A2
SCHEMBL16017236 0.83 LMNA (0.43) BRD4CREBBPLMNASTIM1ORAI1
SCHEMBL14887594 0.83 TRPV1 (0.46) BRD4CREBBPLMNAGAAHPGD
SCHEMBL16017259 0.80 RXFP1 (0.43) BRD4CREBBPLMNACYP3A4CYP2C19
SCHEMBL16017257 0.79 LMNA (0.47) BRD4CREBBPLMNANPSR1CYP1A2
SCHEMBL14887595 0.74 ATR (0.45) STIM1ORAI1GAAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 BRD4 1839/4885CREBBP 433/4885LMNA 1306/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.